sodium;benzene;prop-1-ene

C9H11Na — CID 173088614

IUPACsodium;benzene;prop-1-ene
SMILESC=C[CH2-].[Na+].c1ccccc1
InChIInChI=1S/C6H6.C3H5.Na/c1-2-4-6-5-3-1;1-3-2;/h1-6H;3H,1-2H2;/q;-1;+1
InChIKeyVBGXYEQCAFGNIS-UHFFFAOYSA-N
MW142.18 g/mol
LogP-0.30
Rot. Bonds

About sodium;benzene;prop-1-ene

sodium;benzene;prop-1-ene (PubChem CID 173088614) has the molecular formula C9H11Na and a molecular weight of 142.18 g/mol. Its IUPAC name is sodium;benzene;prop-1-ene.

Molecular Properties

Compound Namesodium;benzene;prop-1-ene
PubChem CID173088614
Molecular FormulaC9H11Na
Molecular Weight142.18 g/mol
Exact Mass142.08
IUPAC Namesodium;benzene;prop-1-ene
SMILESC=C[CH2-].[Na+].c1ccccc1
InChIInChI=1S/C6H6.C3H5.Na/c1-2-4-6-5-3-1;1-3-2;/h1-6H;3H,1-2H2;/q;-1;+1
InChIKeyVBGXYEQCAFGNIS-UHFFFAOYSA-N
XLogP-0.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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molybdenum(3+);tris(prop-1-ene)
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neodymium(3+);prop-1-ene
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prop-1-ene;titanium(3+)
CID 175904617
tris(prop-1-ene);titanium(4+);chloride
CID 173363750
CID 139263487
CID 139263487
lithium;copper;prop-1-ene
CID 173194111
carbanide;prop-1-ene;tungsten(2+)
CID 59816484
CID 173236591
CID 173236591
bis(prop-1-ene);titanium(2+);hydrochloride
CID 174941469
methane;palladium;prop-1-ene
CID 175123096

Frequently Asked Questions

What is the IUPAC name of sodium;benzene;prop-1-ene?
The IUPAC name of sodium;benzene;prop-1-ene (CID 173088614) is sodium;benzene;prop-1-ene.
What is the SMILES notation for sodium;benzene;prop-1-ene?
The canonical SMILES for sodium;benzene;prop-1-ene is C=C[CH2-].[Na+].c1ccccc1.
What is the InChIKey of sodium;benzene;prop-1-ene?
The InChIKey is VBGXYEQCAFGNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H5.Na/c1-2-4-6-5-3-1;1-3-2;/h1-6H;3H,1-2H2;/q;-1;+1.
What are the key properties of sodium;benzene;prop-1-ene?
sodium;benzene;prop-1-ene has a molecular weight of 142.18 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzene;prop-1-ene is sourced from PubChem (CID 173088614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).